error in read data command

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1

hello everyone

I’m trying to simulate a bi-layer in LAMMPS and i need to use read_data command twice, so i use the following commands with attached data files:
read_data monolayer2.data
read_data Waterbulk298.data add append offset 7 8 14 15 1

but i get this error

Invalid type for mass set (…/atom.cpp:1418)

when i comment the mass part i get this error:

Invalid atom type in Atoms section of data file

but data files work fine in other runs when they are alone. i would be glad if anyone can help. thanks

monolayer2.data (1 MB)

Waterbulk298.data (591 KB)

2

hello everyone
I’m trying to simulate a bi-layer in LAMMPS and i need to use read_data
command twice, so i use the following commands with attached data files:
read_data monolayer2.data
read_data Waterbulk298.data add append offset 7 8 14 15 1

but i get this error

Invalid type for mass set (../atom.cpp:1418)

when i comment the mass part i get this error:

Invalid atom type in Atoms section of data file

but data files work fine in other runs when they are alone. i would be glad
if anyone can help. thanks

you are running into a design limitation of LAMMPS: you cannot add new
atom/bond/angle/etc. types after the simulation box is defined, which
happens when you read the first data file. please see the read_data
documentation for details. it is all explained in the section about
reading multiple data files.

http://lammps.sandia.gov/doc/read_data.html

axel.